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N-[2-chloro-6-(3-hydroxyprop-1-yn-1-yl)pyridin-3-yl]-2,2-dimethylpropanamide

N-[2-chloro-6-(3-hydroxyprop-1-yn-1-yl)pyridin-3-yl]-2,2-dimethylpropanamide

CAS: 1142192-04-8

Formula: C13H15ClN2O2

SMILES: CC(C)(C)C(=O)NC1=CC=C(N=C1Cl)C#CCO

IUPAC: N-[2-chloro-6-(3-hydroxyprop-1-yn-1-yl)pyridin-3-yl]-2,2-dimethylpropanamide

InChI: InChI=1S/C13H15ClN2O2/c1-13(2,3)12(18)16-10-7-6-9(5-4-8-17)15-11(10)14/h6-7,17H,8H2,1-3H3,(H,16,18)

Composition: C (58.54%), H (5.67%), Cl (13.29%), N (10.50%), O (12.00%)

Molar Mass: 266.73

Atom Count: 33

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 266.0822054
Formal Charge 0
FSP3 0.38
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey WWRUIOPEMGVHOR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.41
Topological Polar Surface Area 62.22
Polarizability 26.85
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1142192-04-8 $253.47-$758.28$253.47$758.28
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